# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'RNH' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 8.32100 0.12500 -0.28200 1.000 C1 C -4.42000 1.76500 0.95100 1.000 C2 C -6.87200 1.30500 0.81600 1.000 O3 O 0.92700 -1.42500 -0.96000 1.000 O4 O -3.94900 -1.92800 -0.68800 1.000 O5 O -6.31200 -1.41100 0.29900 1.000 C6 C 7.01100 0.54200 0.38900 1.000 C7 C 5.84200 -0.19000 -0.27500 1.000 C8 C 4.53200 0.22700 0.39700 1.000 C9 C 3.36400 -0.50500 -0.26800 1.000 C10 C -1.51900 -0.94800 -0.05100 1.000 C11 C -0.35000 -0.21700 0.61400 1.000 C12 C -5.42400 0.96100 -1.19100 1.000 N13 N 2.10900 -0.10600 0.37500 1.000 N14 N -2.77300 -0.54900 0.59200 1.000 O15 O -5.65500 2.31300 -1.59000 1.000 C16 C 0.94000 -0.62700 -0.04700 1.000 C17 C -3.94200 -1.07000 0.16900 1.000 C18 C -5.24100 -0.58700 0.76200 1.000 C19 C -5.48900 0.86100 0.33500 1.000 C20 C 9.48900 0.85700 0.38200 1.000 C21 C 10.79900 0.44000 -0.28900 1.000 H22 H 8.45800 -0.95100 -0.17500 1.000 H23 H 8.28500 0.38400 -1.34000 1.000 H24 H -4.38900 1.60900 2.02900 1.000 H25 H -3.44700 1.52300 0.52100 1.000 H26 H -4.66000 2.80800 0.74100 1.000 H27 H -7.07300 2.31600 0.46000 1.000 H28 H -7.62800 0.62400 0.42600 1.000 H29 H -6.89800 1.29200 1.90600 1.000 H30 H -6.42000 -1.41200 -0.66300 1.000 H31 H 7.04700 0.28300 1.44800 1.000 H32 H 6.87300 1.61800 0.28300 1.000 H33 H 5.80600 0.06900 -1.33300 1.000 H34 H 5.97900 -1.26600 -0.16800 1.000 H35 H 4.56800 -0.03200 1.45500 1.000 H36 H 4.39500 1.30300 0.29000 1.000 H37 H 3.32800 -0.24600 -1.32600 1.000 H38 H 3.50100 -1.58100 -0.16100 1.000 H39 H -1.55500 -0.69000 -1.10900 1.000 H40 H -1.38200 -2.02400 0.05600 1.000 H41 H -0.48800 0.85900 0.50700 1.000 H42 H -0.31500 -0.47500 1.67200 1.000 H43 H -6.18600 0.31700 -1.63000 1.000 H44 H -4.43900 0.64400 -1.53400 1.000 H45 H 2.12000 0.53300 1.10500 1.000 H46 H -2.76300 0.08900 1.32200 1.000 H47 H -5.62900 2.45100 -2.54700 1.000 H48 H -5.18600 -0.64000 1.85000 1.000 H49 H 9.35200 1.93300 0.27500 1.000 H50 H 9.52500 0.59800 1.44100 1.000 H51 H 10.93600 -0.63600 -0.18200 1.000 H52 H 10.76400 0.69900 -1.34700 1.000 H53 H 11.63200 0.96100 0.18400 1.000